data_2011086
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2000
_journal_volume  56
_journal_page_first  735
_journal_page_last  737
_publ_section_title
;
Cs~2~K[Mn(CN)~6~] at 293, 85 and 10 K
;
loop_
_publ_author_name
  'Figgis, Brian N.'
  'Sobolev, Alexandre N.'
  'Kucharski, Edward S.'
  'Broughton, Vanessa'
_chemical_name_common  'cesium potassium manganicyanide'
_chemical_formula_moiety  'C6 Cs2 K Mn N6'
_chemical_formula_sum  'C6 Cs2 K Mn N6'
_chemical_formula_iupac  'Cs2 K1 [Mn1 (C1 N1)6]'
_chemical_formula_weight  515.98
_symmetry_cell_setting  Monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x-1/2, -y-1/2, z-1/2'
_cell_length_a  11.084(2)
_cell_length_b  8.2130(10)
_cell_length_c  7.6170(10)
_cell_angle_alpha  90.0
_cell_angle_beta  90.770(10)
_cell_angle_gamma  90.0
_cell_volume  693.3(2)
_cell_formula_units_Z  2
_cell_measurement_temperature  85(2)
_exptl_crystal_density_diffrn  2.472
_diffrn_ambient_temperature  85(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Cs  .251911(8)  .423963(10)  -.025547(12)  .01871(2) Uani d . 1 . . Cs
  K  .0000  .5000  .5000  .01310(4) Uani d S 1 . . K
  Mn  .0000  .0000  .0000  .00965(3) Uani d S 1 . . Mn
  C1  .03440(11)  .12972(14)  -.21405(16)  .01479(15) Uani d . 1 . . C
  N1  .05668(14)  .20427(16)  -.33885(19)  .0241(2) Uani d . 1 . . N
  C2  .04302(12)  -.20430(14)  -.12643(16)  .01511(15) Uani d . 1 . . C
  N2  .06954(15)  -.32167(15)  -.20088(19)  .0237(2) Uani d . 1 . . N
  C3  .17029(11)  .02527(15)  .07806(17)  .01544(16) Uani d . 1 . . C
  N3  .26909(12)  .04408(19)  .1257(2)  .0234(2) Uani d . 1 . . N
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Cs  .02143(4)  .01474(3)  .01999(4)  -.00067(2)  .00096(3)  .00118(2)
  K  .01399(11)  .01182(10)  .01348(10)  -.00029(8)  -.00024(8)  .00033(8)
  Mn  .00971(7)  .00861(6)  .01065(7)  .00034(5)  .00041(5)  .00042(5)
  C1  .0169(4)  .0126(3)  .0149(4)  .0010(3)  .0018(3)  .0023(3)
  N1  .0321(6)  .0196(4)  .0209(5)  .0046(4)  .0067(4)  .0083(4)
  C2  .0181(4)  .0122(3)  .0150(4)  .0016(3)  .0004(3)  -.0012(3)
  N2  .0329(6)  .0166(4)  .0215(5)  .0066(4)  -.0024(4)  -.0062(3)
  C3  .0128(4)  .0152(4)  .0182(4)  -.0006(3)  .0001(3)  .0022(3)
  N3  .0131(4)  .0278(5)  .0292(6)  -.0013(4)  -.0018(4)  .0047(5)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Mn C1 . 1.9890(10)
  no
  Mn C2 . 1.9960(10)
  no
  Mn C3 . 1.9820(10)
  no
  Mn C1 3 1.9888(11) no
  Mn C2 3 1.9956(11) no
  Mn C3 3 1.9822(13) no
  C1 N1 . 1.160(2) no
  C2 N2 . 1.158(2) no
  C3 N3 . 1.159(2) no
  Mn Cs 3 4.4691(5) no
  Cs N1 2_554 3.3056(15) no
  Cs N1 . 3.6735(17) no
  Cs N1 4_666 3.7965(18) no
  Cs N2 1_565 3.1877(14) no
  Cs N2 2_554 3.5269(17) no
  Cs N3 2 3.2129(16) no
  Cs N3 . 3.3304(16) no
  Cs C1 2_554 3.5392(13) no
  Cs C1 . 3.6907(13) no
  Cs C2 2_554 3.6695(13) no
  Cs C3 . 3.4903(13) no
  Cs C3 2 3.6020(13) no
  K N1 1_556 2.7893(13) no
  K N1 3_565 2.7893(13) no
  K N2 3 2.8077(13) no
  K N2 1_566 2.8077(13) no
  K N3 4_566 2.7684(15) no
  K N3 2 2.7684(15) no
  K Cs 2 4.4395(5) no
  K Cs 4_566 4.4395(5) no
  K Cs 1_556 4.5799(6) no
  K Cs 3_565 4.5799(6) no
  K Cs 3_566 4.9509(7) no
  C1 Cs 2_544 3.5392(13) no
  N1 K 1_554 2.7893(13) no
  N1 Cs 2_544 3.3056(15) no
  N1 Cs 4_565 3.7965(18) no
  C2 Cs 2_544 3.6695(13) no
  C2 Cs 1_545 3.9019(12) no
  N2 K 1_544 2.8077(13) no
  N2 Cs 1_545 3.1877(14) no
  N2 Cs 2_544 3.5269(17) no
  C3 Cs 2_545 3.6020(13) no
  N3 K 2_545 2.7684(15) no
  N3 Cs 2_545 3.2129(16) no